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| IUPAC name : | 3-methylbutyl heptanoate |
| InChI : | InChI=1/C12H24O2/c1-4-5-6-7-8-12(13)14-10-9-11(2)3/h11H,4-10H2,1-3H3 |
| InChIKey : | AFCXVDRTNQNGHS-UHFFFAOYAO |
| SMILES : | CCCCCCC(=O)OCCC(C)C |
| (EINECS) number : | 203-658-9 |
| cas number : | 109-25-1 |
| coe number : | 10719 |
| fl. number : | 09.599 |
| molar refractivity : | 59.37 ± 0.3 cm3 |
| parachor : | 531.6 ± 4.0 cm3 |
| index of refraction : | 1.428 ± 0.02 |
| surface tension : | 28.3 ± 3.0 dyne/cm |
| density : | 0.869 ± 0.06 g/cm3 |
| polarizability : | 23.53 ± 0.5 10-24cm3 |
| xlogp : | 4.60 |
| molecular weight : | 200.3177600 |
| formula : | C12 H24 O2 |
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| fda reg : | unspecified |
h. number : | 2915.90.0000 |
| organoleptics : | |
| odor type : | herbal |
| odor strength : | medium |
odor description :
at 100.00 %. | fruity herbal grassy banana unripe fruit |
| substantivity : | 16 Hour(s) |
| properties : | |
| appearence : | colorless clear liquid |
| assay : | 98.00 - 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.85800 - 0.86300 @ 25.00 °C.
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| pounds per gallon - calc. : | 7.139 to 7.181
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| refractive index : | 1.41800 - 1.42200 @ 20.00 °C.
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| boiling point : | 224.00 - 227.00 °C. @ 760.00 mm Hg
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| boiling point : | 94.00 - 96.00 °C. @ 10.00 mm Hg
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| acid value : | 1.00 max. KOH/g
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| logp : | 4.78 |
| safety : | |
| Oral Toxicity(LD50) : |
Not determined
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| Dermal Toxicity(LD50) : |
Not determined
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| flash point ( Deg. F. ) : | 190.00 °F. TCC ( 87.78 °C. )
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| recommendation for isoamyl heptanoate usage levels up to : |
| | 5.0000 % in the fragrance concentrate.
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| recommendation for isoamyl heptanoate usage levels up to : |
| | 15.0000 ppm in the flavor.
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| safety links : | |
| (EINECS) number : | 203-658-9 |
| chemidplus : | 000109251 |
| epa-srs : | 109-25-1 |
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| other : | |
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| references : | |
| pubchem : | 209057 |
| NIST Chemistry WebBook : | 887303586 |
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